N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide

C16H23N5O — CID 121154893

IUPACN-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CC(n2ccnn2)C1
InChIInChI=1S/C16H23N5O/c22-15(20-9-14(10-20)21-2-1-17-19-21)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,11-14H,3-10H2,(H,18,22)
InChIKeyBZZVTXCZTQKCTI-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.81
Rot. Bonds2

About N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide

N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide (PubChem CID 121154893) has the molecular formula C16H23N5O and a molecular weight of 301.39 g/mol. Its IUPAC name is N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide
PubChem CID121154893
Molecular FormulaC16H23N5O
Molecular Weight301.39 g/mol
Exact Mass301.19
IUPAC NameN-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide
SMILESO=C(NC12CC3CC(CC(C3)C1)C2)N1CC(n2ccnn2)C1
InChIInChI=1S/C16H23N5O/c22-15(20-9-14(10-20)21-2-1-17-19-21)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,11-14H,3-10H2,(H,18,22)
InChIKeyBZZVTXCZTQKCTI-UHFFFAOYSA-N
XLogP1.81
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide?
The IUPAC name of N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide (CID 121154893) is N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide.
What is the SMILES notation for N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide?
The canonical SMILES for N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide is O=C(NC12CC3CC(CC(C3)C1)C2)N1CC(n2ccnn2)C1.
What is the InChIKey of N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide?
The InChIKey is BZZVTXCZTQKCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5O/c22-15(20-9-14(10-20)21-2-1-17-19-21)18-16-6-11-3-12(7-16)5-13(4-11)8-16/h1-2,11-14H,3-10H2,(H,18,22).
What are the key properties of N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide?
N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 1.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-3-(triazol-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 121154893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).